Control and Prediction of Solid-State of Pharmaceuticals 9783319275543

Categorie

Quantum & theoretical chemistr

Winkel

Wordery

Merk

Springer international publish

Control and Prediction of Solid-State of Pharmaceuticals : Springer : 9783319275543 : 3319275542 : 10 Feb 2016 : This thesis investigates a range of experimental and computational approaches for the discovery of solid forms. Furthermore, we gain, as readers, a better understanding of the key factors underpinning solid-structure and diversity. A major part of this thesis highlights experimental work carried out on two structurally very similar compounds. Another important section involves looking at the influence of small changes in structure and substituents on solid-structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modeling tools. In addition, the author presents a fast validated method for solid-state form screening using Raman microscopy on multi-well plates to explore the experimental crystallization space. This thesis illustrates an inexpensive, practical and accurate way to predict the cryst

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